Potassium Cation → 6-[5-Fluoro-4-methoxy-2-(2,2,2-trifluoro-ethyl)-phenyl]-1-(tetrahydro-pyran-2-yl)-1H-indazole-3-carbonitrile
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([C:17]#[N:18])[n:7][n:8]([CH:11]3[O:12][CH2:13][CH2:14][CH2:15][CH2:16]3)[c:9]2[cH:10]1.[F:19][c:20]1[c:21]([O:40][CH3:41])[cH:22][c:23]([CH2:35][C:36]([F:37])([F:38])[F:39])[c:24]([B:26]2[O:27][C:28]([CH3:29])([CH3:30])[C:31]([CH3:32])([CH3:33])[O:34]2)[cH:25]1.[K+:47].[K+:48].[K+:49].[O:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55]1.[OH2:56].[P:42]([O-:43])([O-:44])([O-:45])=[O:46].[Pd:57].[c:115]1([P:116]([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[cH:129][cH:130][cH:131][cH:132][cH:133]1.[c:58]1([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73][cH:74][cH:75][cH:76]1.[c:77]1([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[cH:91][cH:92][cH:93][cH:94][cH:95]1.[c:96]1([P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[cH:110][cH:111][cH:112][cH:113][cH:114]1>>[c:2]1(-[c:24]2[c:23]([CH2:35][C:36]([F:37])([F:38])[F:39])[cH:22][c:21]([O:40][CH3:41])[c:20]([F:19])[cH:25]2)[cH:3][cH:4][c:5]2[c:6]([C:17]#[N:18])[n:7][n:8]([CH:11]3[O:12][CH2:13][CH2:14][CH2:15][CH2:16]3)[c:9]2[cH:10]1Participants
9
Reactant 8
HCID 813Potassium Cation3×
HCID 962Water
HCID 1061Phosphate
HCID 11776Triphenylphosphine4×
HCID 23938Palladium
HCID 312751,4-Dioxane
HCID 712377736-Bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole-3-carbonitrile
HCID 712382822-[5-Fluoro-4-methoxy-2-(2,2,2-trifluoro-ethyl)-phenyl]-4,4,5,5-tetramethyl-[1,3,2]dioxaborolaneProduct 1
Sources & evidence
- ORD record
- ord-d2cb15330e424eef89172bf2de9e5a52
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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